N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide

C19H18N4O2S — CID 164526471

IUPACN-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNc2ncc(-c3cncs3)c3c2CCO3)c1
InChIInChI=1S/C19H18N4O2S/c1-20-19(24)13-4-2-3-12(7-13)8-22-18-14-5-6-25-17(14)15(9-23-18)16-10-21-11-26-16/h2-4,7,9-11H,5-6,8H2,1H3,(H,20,24)(H,22,23)
InChIKeyRXXQXLUIQUAINK-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.11
Rot. Bonds5

About N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide

N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide (PubChem CID 164526471) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
PubChem CID164526471
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
SMILESCNC(=O)c1cccc(CNc2ncc(-c3cncs3)c3c2CCO3)c1
InChIInChI=1S/C19H18N4O2S/c1-20-19(24)13-4-2-3-12(7-13)8-22-18-14-5-6-25-17(14)15(9-23-18)16-10-21-11-26-16/h2-4,7,9-11H,5-6,8H2,1H3,(H,20,24)(H,22,23)
InChIKeyRXXQXLUIQUAINK-UHFFFAOYSA-N
XLogP3.11
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide?
The IUPAC name of N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide (CID 164526471) is N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide.
What is the SMILES notation for N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide?
The canonical SMILES for N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide is CNC(=O)c1cccc(CNc2ncc(-c3cncs3)c3c2CCO3)c1.
What is the InChIKey of N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide?
The InChIKey is RXXQXLUIQUAINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-20-19(24)13-4-2-3-12(7-13)8-22-18-14-5-6-25-17(14)15(9-23-18)16-10-21-11-26-16/h2-4,7,9-11H,5-6,8H2,1H3,(H,20,24)(H,22,23).
What are the key properties of N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide?
N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide has a molecular weight of 366.45 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide is sourced from PubChem (CID 164526471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).